6-methoxy-N-methylcyclohexa-1,5-dien-1-amine

C8H13NO — CID 142506360

IUPAC6-methoxy-N-methylcyclohexa-1,5-dien-1-amine
SMILESCNC1=CCCC=C1OC
InChIInChI=1S/C8H13NO/c1-9-7-5-3-4-6-8(7)10-2/h5-6,9H,3-4H2,1-2H3
InChIKeyNWZKYKQNOFPTSJ-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.41
Rot. Bonds2

About 6-methoxy-N-methylcyclohexa-1,5-dien-1-amine

6-methoxy-N-methylcyclohexa-1,5-dien-1-amine (PubChem CID 142506360) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 6-methoxy-N-methylcyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name6-methoxy-N-methylcyclohexa-1,5-dien-1-amine
PubChem CID142506360
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name6-methoxy-N-methylcyclohexa-1,5-dien-1-amine
SMILESCNC1=CCCC=C1OC
InChIInChI=1S/C8H13NO/c1-9-7-5-3-4-6-8(7)10-2/h5-6,9H,3-4H2,1-2H3
InChIKeyNWZKYKQNOFPTSJ-UHFFFAOYSA-N
XLogP1.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-[(4R)-4-fluoropentoxy]-N-methylcyclohexa-1,5-dien-1-amine
CID 163594706
6-Methoxycyclohexa-1,5-dien-1-amine
CID 20027163
4-diazo-6-methoxy-N-methylcyclohexa-1,5-dien-1-amine
CID 53881771
2-bromo-6,7-dihydro-4H-1,4-benzoxazine
CID 71295273
2-(4H-pyran-2-yl)-1,4-dihydropyridine
CID 134442805
(3E,5Z)-3-methoxy-N,5-dimethylhepta-1,3,5-trien-2-amine
CID 137427656
8-Methyl-4,6-dihydrocyclohepta[b][1,4]oxazine
CID 141792199
7-methoxy-N-methylcyclohepta-1,3,6-trien-1-amine
CID 142187500
ethane;(4E,5E)-4-ethylidene-5-propylidene-1,3-oxazolidine
CID 142300254
Ethane;6-methoxycyclohexa-1,5-dien-1-amine
CID 142373465
ethane;7-methoxy-N,4-dimethylcyclohepta-1,4,6-trien-1-amine
CID 142474982
(2E,3E)-3-prop-2-enylidene-2-propylidene-4H-1,4-oxazine
CID 143195765

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-methylcyclohexa-1,5-dien-1-amine?
The IUPAC name of 6-methoxy-N-methylcyclohexa-1,5-dien-1-amine (CID 142506360) is 6-methoxy-N-methylcyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 6-methoxy-N-methylcyclohexa-1,5-dien-1-amine?
The canonical SMILES for 6-methoxy-N-methylcyclohexa-1,5-dien-1-amine is CNC1=CCCC=C1OC.
What is the InChIKey of 6-methoxy-N-methylcyclohexa-1,5-dien-1-amine?
The InChIKey is NWZKYKQNOFPTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-9-7-5-3-4-6-8(7)10-2/h5-6,9H,3-4H2,1-2H3.
What are the key properties of 6-methoxy-N-methylcyclohexa-1,5-dien-1-amine?
6-methoxy-N-methylcyclohexa-1,5-dien-1-amine has a molecular weight of 139.20 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-methylcyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 142506360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).